7756-0006 Screening compound: 1-(4-bromophenyl)-2-(2-oxo-1,2-dihydropyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione

7756-0006 Screening compound: 1-(4-bromophenyl)-2-(2-oxo-1,2-dihydropyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione
7756-0006 Screening compound: 1-(4-bromophenyl)-2-(2-oxo-1,2-dihydropyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7756-0006
1-(4-bromophenyl)-2-(2-oxo-1,2-dihydropyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7756-0006

Molecular Formula

C24H22BrN3O3 (C24 H22 BrN3 O3)

Compound Name

1-(4-bromophenyl)-2-(2-oxo-1,2-dihydropyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione

IUPAC name

1-(4-bromophenyl)-2-(2-oxo-12-dihydropyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-13-dione

SMILES

O=C(C(C(N(CC1)CCN1c1ccccc1)=O)N(C=CC=C1)C1=O)c(cc1)ccc1Br

InChI

InChI=1S/C24H22BrN3O3/c25-19-11-9-18(10-12-19)23(30)22(28-13-5-4-8-21(28)29)24(31)27-16-14-26(15-17-27)20-6-2-1-3-7-20/h1-13,22H,14-17H2/t22-/m0/s1

InChI Key

XBAMMCQRLVQEAK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08675997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.16

Polar Surface Area

49.005

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

7756-0006 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7756-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7756-0006?
Check Price and Availability of 7756-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7756-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7756-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7756-0006
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 7756-0006 available by request